N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C10H14F3N3S — CID 43730468

IUPACN-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCc2csnn2)CC1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)7-1-3-8(4-2-7)14-5-9-6-17-16-15-9/h6-8,14H,1-5H2
InChIKeyAXQRTDUJVPEICF-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.75
Rot. Bonds3

About N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43730468) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43730468
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC NameN-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCc2csnn2)CC1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)7-1-3-8(4-2-7)14-5-9-6-17-16-15-9/h6-8,14H,1-5H2
InChIKeyAXQRTDUJVPEICF-UHFFFAOYSA-N
XLogP2.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 43730468) is N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCc2csnn2)CC1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is AXQRTDUJVPEICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c11-10(12,13)7-1-3-8(4-2-7)14-5-9-6-17-16-15-9/h6-8,14H,1-5H2.
What are the key properties of N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 265.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43730468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).